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ChemInform Abstract: Correlations Between Transition-Metal NMR Chemical Shifts and Reactivities

✍ Scribed by M. Buhl

Publisher
John Wiley and Sons
Year
2010
Weight
23 KB
Volume
31
Category
Article
ISSN
0931-7597

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πŸ“œ SIMILAR VOLUMES

Thermal Effects and Vibrational Correcti
Thermal Effects and Vibrational Corrections to Transition Metal NMR Chemical Shifts
✍ Sonja Grigoleit; Michael BΓΌhl πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 295 KB πŸ‘ 1 views

## Abstract Both zero‐point and classical thermal effects on the chemical shift of transition metals have been calculated at appropriate levels of density functional theory for a number of complexes of titanium, vanadium, manganese and iron. The zero‐point effects were computed by applying a pertur